1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

C19H31N3O2 — CID 169410768

IUPAC1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)CC1CCN(C(C)C)CC1)C2
InChIInChI=1S/C19H31N3O2/c1-13(2)19-20-16-12-22(10-7-17(16)24-19)18(23)11-15-5-8-21(9-6-15)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGWDIIJKBQBLEHK-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone

1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (PubChem CID 169410768) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
PubChem CID169410768
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)CC1CCN(C(C)C)CC1)C2
InChIInChI=1S/C19H31N3O2/c1-13(2)19-20-16-12-22(10-7-17(16)24-19)18(23)11-15-5-8-21(9-6-15)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGWDIIJKBQBLEHK-UHFFFAOYSA-N
XLogP3.19
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone with MolForge

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Related Compounds

(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170505691
N-[(2S)-4-methyl-1-oxo-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-2-yl]acetamide
CID 170507602
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
2-(3,5-dimethylpyrazol-1-yl)-1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 169421225
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170504287
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-pyrazol-1-ylbutan-1-one
CID 169419833
5-methyl-1-[2-oxo-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethyl]pyrimidine-2,4-dione
CID 170510152
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-pyridin-2-ylpropan-1-one
CID 169410942
1-[2-(3,5-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 169417933
(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone
CID 170504513
2H-benzotriazol-5-yl-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170507258
(1-ethylpyrazol-3-yl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170509577

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone (CID 169410768) is 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is CC(C)c1nc2c(o1)CCN(C(=O)CC1CCN(C(C)C)CC1)C2.
What is the InChIKey of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
The InChIKey is GWDIIJKBQBLEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)19-20-16-12-22(10-7-17(16)24-19)18(23)11-15-5-8-21(9-6-15)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone?
1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone has a molecular weight of 333.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone is sourced from PubChem (CID 169410768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).